N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide

C31H41NO2SSi — CID 178086838

IUPACN-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ccccc2)CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C31H41NO2SSi/c1-29(2,3)35(33)32-31(26-16-10-7-11-17-26)22-25(23-31)24-34-36(30(4,5)6,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,25,32H,22-24H2,1-6H3
InChIKeyPXFMCDAAQMYQSN-UHFFFAOYSA-N
MW519.83 g/mol
LogP5.92
Rot. Bonds8

About N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide

N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide (PubChem CID 178086838) has the molecular formula C31H41NO2SSi and a molecular weight of 519.83 g/mol. Its IUPAC name is N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide
PubChem CID178086838
Molecular FormulaC31H41NO2SSi
Molecular Weight519.83 g/mol
Exact Mass519.26
IUPAC NameN-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ccccc2)CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C31H41NO2SSi/c1-29(2,3)35(33)32-31(26-16-10-7-11-17-26)22-25(23-31)24-34-36(30(4,5)6,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,25,32H,22-24H2,1-6H3
InChIKeyPXFMCDAAQMYQSN-UHFFFAOYSA-N
XLogP5.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.83
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide
CID 102290514
[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 67980790
N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide
CID 165411713
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597
cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409596
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 90317821
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499

Frequently Asked Questions

What is the IUPAC name of N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide (CID 178086838) is N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1(c2ccccc2)CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is PXFMCDAAQMYQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41NO2SSi/c1-29(2,3)35(33)32-31(26-16-10-7-11-17-26)22-25(23-31)24-34-36(30(4,5)6,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,25,32H,22-24H2,1-6H3.
What are the key properties of N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide?
N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 519.83 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 178086838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).